These tools will no longer be maintained as of December 31, 2024. Archived website can be found here. PubMed4Hh GitHub repository can be found here. Contact NLM Customer Service if you have questions.


BIOMARKERS

Molecular Biopsy of Human Tumors

- a resource for Precision Medicine *

155 related articles for article (PubMed ID: 23737043)

  • 1. The ORP basis set designed for optical rotation calculations.
    Baranowska-Łączkowska A; Łączkowski KZ
    J Comput Chem; 2013 Sep; 34(23):2006-13. PubMed ID: 23737043
    [TBL] [Abstract][Full Text] [Related]  

  • 2. Model studies of the optical rotation, and theoretical determination of its sign for beta-pinene and trans-pinane.
    Baranowska A; Łaczkowski KZ; Sadlej AJ
    J Comput Chem; 2010 Apr; 31(6):1176-81. PubMed ID: 19777492
    [TBL] [Abstract][Full Text] [Related]  

  • 3. Compact Basis Sets for Optical Rotation Calculations.
    Aharon T; Caricato M
    J Chem Theory Comput; 2020 Jul; 16(7):4408-4415. PubMed ID: 32525666
    [TBL] [Abstract][Full Text] [Related]  

  • 4. New Basis Set for the Evaluation of Specific Rotation in Flexible Biological Molecules in Solution.
    Baranowska-Łączkowska A; Łączkowski KZ; Henriksen C; Fernández B
    J Phys Chem A; 2018 Jun; 122(24):5477-5483. PubMed ID: 29792432
    [TBL] [Abstract][Full Text] [Related]  

  • 5. Performance of Property-Optimized Basis Sets for Optical Rotation with Coupled Cluster Theory.
    Howard JC; Sowndarya S V S; Ansari IM; Mach TJ; Baranowska-Łączkowska A; Crawford TD
    J Phys Chem A; 2018 Jul; 122(28):5962-5969. PubMed ID: 29923720
    [TBL] [Abstract][Full Text] [Related]  

  • 6. Comparison of Property-Oriented Basis Sets for the Computation of Electronic and Nuclear Relaxation Hyperpolarizabilities.
    Zaleśny R; Baranowska-Łączkowska A; Medveď M; Luis JM
    J Chem Theory Comput; 2015 Sep; 11(9):4119-28. PubMed ID: 26575907
    [TBL] [Abstract][Full Text] [Related]  

  • 7. Basis Set Recommendations for DFT Calculations of Gas-Phase Optical Rotation at Different Wavelengths.
    Hedegård ED; Jensen F; Kongsted J
    J Chem Theory Comput; 2012 Nov; 8(11):4425-33. PubMed ID: 26605602
    [TBL] [Abstract][Full Text] [Related]  

  • 8. Finding reliable methodology for optical rotation and correct predictions of (s)-methyloxirane and (1R,5R)-β-pinene.
    de Albuquerque Barros G; Henrique Morgon N
    Chirality; 2022 Sep; 34(9):1197-1208. PubMed ID: 35670135
    [TBL] [Abstract][Full Text] [Related]  

  • 9. Small and efficient basis sets for the evaluation of accurate interaction energies: aromatic molecule-argon ground-state intermolecular potentials and rovibrational states.
    Cybulski H; Baranowska-Łączkowska A; Henriksen C; Fernández B
    J Phys Chem A; 2014 Nov; 118(44):10288-97. PubMed ID: 25317989
    [TBL] [Abstract][Full Text] [Related]  

  • 10. Optical Rotation from Coupled Cluster and Density Functional Theory: The Role of Basis Set Convergence.
    Haghdani S; Åstrand PO; Koch H
    J Chem Theory Comput; 2016 Feb; 12(2):535-48. PubMed ID: 26672621
    [TBL] [Abstract][Full Text] [Related]  

  • 11. The DBH24/08 Database and Its Use to Assess Electronic Structure Model Chemistries for Chemical Reaction Barrier Heights.
    Zheng J; Zhao Y; Truhlar DG
    J Chem Theory Comput; 2009 Apr; 5(4):808-21. PubMed ID: 26609587
    [TBL] [Abstract][Full Text] [Related]  

  • 12. Local correlation domains for coupled cluster theory: optical rotation and magnetic-field perturbations.
    Russ NJ; Crawford TD
    Phys Chem Chem Phys; 2008 Jun; 10(23):3345-52. PubMed ID: 18535716
    [TBL] [Abstract][Full Text] [Related]  

  • 13. Kinetic isotope effects for Cl + CH4 ⇌ HCl + CH3 calculated using ab initio semiclassical transition state theory.
    Barker JR; Nguyen TL; Stanton JF
    J Phys Chem A; 2012 Jun; 116(24):6408-19. PubMed ID: 22295940
    [TBL] [Abstract][Full Text] [Related]  

  • 14. Assignment of the absolute configuration of [n]-ladderanes by TD-DFT optical rotation calculations.
    Zuber G; Goldsmith MR; Beratan DN; Wipf P
    Chirality; 2005 Oct; 17(8):507-10. PubMed ID: 16121333
    [TBL] [Abstract][Full Text] [Related]  

  • 15. The Role of Substituents in Optical Rotation of Oxiranes, Oxetanes, and Oxathietanes.
    Baranowska-Łączkowska A; Łączkowski KZ; Fernández B
    J Chem Inf Model; 2019 May; 59(5):2103-2109. PubMed ID: 30882219
    [TBL] [Abstract][Full Text] [Related]  

  • 16. From CCSD(T)/aug-cc-pVTZ-J to CCSD(T) complete basis set limit isotropic nuclear magnetic shieldings via affordable DFT/CBS calculations.
    Kupka T; Stachów M; Nieradka M; Kaminsky J; Pluta T; Sauer SP
    Magn Reson Chem; 2011 May; 49(5):231-6. PubMed ID: 21387405
    [TBL] [Abstract][Full Text] [Related]  

  • 17. The aug-cc-pVTZ-J basis set for the p-block fourth-row elements Ga, Ge, As, Se, and Br.
    Steinmann C; Sauer SPA
    Magn Reson Chem; 2021 Nov; 59(11):1134-1145. PubMed ID: 33929770
    [TBL] [Abstract][Full Text] [Related]  

  • 18. Basis set and density functional dependence of vibrational Raman optical activity calculations.
    Reiher M; Liégeois V; Ruud K
    J Phys Chem A; 2005 Aug; 109(33):7567-74. PubMed ID: 16834126
    [TBL] [Abstract][Full Text] [Related]  

  • 19. Intermolecular potentials of the methane dimer calculated with Møller-Plesset perturbation theory and density functional theory.
    Li AH; Chao SD
    J Chem Phys; 2006 Sep; 125(9):094312. PubMed ID: 16965085
    [TBL] [Abstract][Full Text] [Related]  

  • 20. Accurate calculation of optically induced birefringences in chiral systems using efficient polarized basis sets.
    Baranowska-Łączkowska A; Fernández B
    Phys Chem Chem Phys; 2018 Dec; 20(47):29717-29723. PubMed ID: 30460941
    [TBL] [Abstract][Full Text] [Related]  

    [Next]    [New Search]
    of 8.